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922505-78-0 | Benzenesulfonamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS No: 922505-78-0 Catalog No: AG006E1W MDL No:
Product Description
Catalog Number:
AG006E1W
Chemical Name:
Benzenesulfonamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS Number:
922505-78-0
Molecular Formula:
C18H15N3O2S
Molecular Weight:
337.3956
IUPAC Name:
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C18H15N3O2S/c1-21-16(13-19)11-12-18(21)14-7-9-15(10-8-14)20-24(22,23)17-5-3-2-4-6-17/h2-12,20H,1H3
InChI Key:
NXCIMYDGFDRLFP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.397g/mol
Monoisotopic Mass:
337.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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